SCHEMBL16613438

SCHEMBL16613438

CC1(C)C=Cc2c(-c3cccc4c5ccccc5n(-c5ccccc5)c34)nc(-n3c4ccccc4c4ccccc43)nc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DUSP3 P51452 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16613676 0.92 PTGER4 (0.34) KDM4EATML3MBTL1DUSP3
SCHEMBL16613758 0.92 HTT (0.31) KDM4EATML3MBTL1HTT
SCHEMBL16613502 0.88 DUSP3 (0.31) DUSP3
SCHEMBL16613503 0.86 TUBB4A (0.35) DUSP3
SCHEMBL16613433 0.85
SCHEMBL16613622 0.84 KDM4E (0.38) KDM4EATML3MBTL1DUSP3MAPK1
SCHEMBL16613435 0.84 TUBB4A (0.34) DUSP3
SCHEMBL16613674 0.84 PTGER4 (0.34) KDM4EATML3MBTL1
SCHEMBL16613616 0.83 PTGER4 (0.34) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL16613747 0.83 PTGER4 (0.33) KDM4EATML3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed